2-(4-methoxyphenyl)-N-[4-(3-methylbutylamino)phenyl]acetamide

C20H26N2O2 — CID 112985099

IUPAC2-(4-methoxyphenyl)-N-[4-(3-methylbutylamino)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(NCCC(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-15(2)12-13-21-17-6-8-18(9-7-17)22-20(23)14-16-4-10-19(24-3)11-5-16/h4-11,15,21H,12-14H2,1-3H3,(H,22,23)
InChIKeyCQGHKUUEFHHHJB-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.33
Rot. Bonds8

About 2-(4-methoxyphenyl)-N-[4-(3-methylbutylamino)phenyl]acetamide

2-(4-methoxyphenyl)-N-[4-(3-methylbutylamino)phenyl]acetamide (PubChem CID 112985099) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-(3-methylbutylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[4-(3-methylbutylamino)phenyl]acetamide
PubChem CID112985099
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-(4-methoxyphenyl)-N-[4-(3-methylbutylamino)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(NCCC(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-15(2)12-13-21-17-6-8-18(9-7-17)22-20(23)14-16-4-10-19(24-3)11-5-16/h4-11,15,21H,12-14H2,1-3H3,(H,22,23)
InChIKeyCQGHKUUEFHHHJB-UHFFFAOYSA-N
XLogP4.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-methylbutylamino)phenyl]-2-(4-methylphenyl)acetamide
CID 112985122
2-[4-(benzylamino)phenyl]-N-(4-methoxyphenyl)acetamide
CID 46045417
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
N-ethyl-2-[4-(3-methylbutylamino)phenyl]acetamide
CID 43737544
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
barium(2+);bis(4-[[2-(4-methoxyphenyl)acetyl]amino]benzenesulfonate)
CID 45049422
N-[4-(3-methylbutylamino)phenyl]-2-(3-methylphenyl)acetamide
CID 112985121
N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 114299189
N-[4-(2-aminoethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 28754535
2-(4-acetamidophenyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 108792620
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[4-(3-methylbutylamino)phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[4-(3-methylbutylamino)phenyl]acetamide (CID 112985099) is 2-(4-methoxyphenyl)-N-[4-(3-methylbutylamino)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[4-(3-methylbutylamino)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-(3-methylbutylamino)phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(NCCC(C)C)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[4-(3-methylbutylamino)phenyl]acetamide?
The InChIKey is CQGHKUUEFHHHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15(2)12-13-21-17-6-8-18(9-7-17)22-20(23)14-16-4-10-19(24-3)11-5-16/h4-11,15,21H,12-14H2,1-3H3,(H,22,23).
What are the key properties of 2-(4-methoxyphenyl)-N-[4-(3-methylbutylamino)phenyl]acetamide?
2-(4-methoxyphenyl)-N-[4-(3-methylbutylamino)phenyl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[4-(3-methylbutylamino)phenyl]acetamide is sourced from PubChem (CID 112985099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).